![2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid structure](/static/products/916/91647-48-2.png)
2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid
TL;DR: 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid (CAS 91647-48-2) is a chemical compound with molecular formula C12H17N5O2S and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid
Also Known As: 2-[2-amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid, 9-Isopentyl-2-amino-6-carboxymethylmercapto-9H-purin, {[2-amino-9-(3-methylbutyl)-9h-purin-6-yl]sulfanyl}acetic acid, 2-((2-Amino-9-isopentyl-9H-purin-6-yl)thio)aceticacid, 2-((2-Amino-9-isopentyl-9H-purin-6-yl)thio)acetic acid
| Molecular Formula | C12H17N5O2S |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.1103 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 91647-48-2 |
|---|---|
| SMILES | CC(C)CCN1C=NC2=C1N=C(N=C2SCC(=O)O)N |
| InChIKey | PNQMEMRVYMMLGZ-UHFFFAOYSA-N |
Product Overview
2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid (CAS 91647-48-2), with molecular formula C12H17N5O2S and molecular weight 295.11 g/mol. IUPAC: 2-[2-amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid.
Chemical Property Profile of 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid
Property Insights of 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid. Following Lipinski's Rule of Five, 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid?
The CAS number of 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid is 91647-48-2.
What is the molecular formula of 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid?
The molecular formula of 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid is C12H17N5O2S.
What is the molecular weight of 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid?
The molecular weight of 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid is 295.11 g/mol.
Where can I buy 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid?
You can request a quote for 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-Amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.